(3R)-4-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1-tert-butyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-1,4-diazepan-2-one

Systemtic Name: (3R)-4-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1-tert-butyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-tert-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methyl]-1,4-diazepan-2-one CAS Name: (3R)-4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-1-tert-butyl-3-[(1-oxido-2-pyridin-1-iumyl)methyl]-1,4-diazepan-2-one IUPAC Name: (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-tert-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-tert-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methyl]-1,4-diazepan-2-one Formula: C25H31F3N4O3 MolecularWeight: 492.53385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCCN(C(C1=O)CC2=CC=CC=[N+]2[O-])C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

Isomeric SMILES

CC(C)(C)N1CCCN([C@@H](C1=O)CC2=CC=CC=[N+]2[O-])C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N

InChI

InChI=1S/C25H31F3N4O3/c1-25(2,3)31-9-6-8-30(22(24(31)34)14-18-7-4-5-10-32(18)35)23(33)13-17(29)11-16-12-20(27)21(28)15-19(16)26/h4-5,7,10,12,15,17,22H,6,8-9,11,13-14,29H2,1-3H3/t17-,22-/m1/s1